Vitas-M small molecule compound
8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-7-hexadecyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK561222
SMILES CCCCCCCCCCCCCCCCn1c(SC/C=C(/Cl)\C)nc2c1c(O)nc(=O)n2C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H43ClN4O2S MW 511.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H43ClN4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-31-22-23(30(3)25(33)29-24(22)32)28-26(31)34-20-18-21(2)27/h18H,4-17,19-20H2,1-3H3,(H,29,32,33)/b21-18+InChIKey
BUEWVDJDRFFMFD-DYTRJAOYSA-NSynonyms
8(((2E)3chlorobut2en1yl)sulfanyl)7hexadecyl6hydroxy3methyl37dihydro2Hpurin2one
8((2E)3CHLOROBUT2ENYLTHIO)7HEXADECYL3METHYL137TRIHYDROPURINE26DIONE
8((E)3CHLOROBUT2ENYL)SULFANYL7HEXADECYL3METHYLPURINE26DIONE
CCCCCCCCCCCCCCCCn1c(SCC=C(Cl)C)nc2c1c(O)nc(=O)n2C
InChI=1SC26H43ClN4O2Sc1456789101112131415161719312223(30(3)25(33)2924(22)32)2826(31)34201821(2)27h18H4171920H213H3(H293233)b2118+
MFCD03794184
ZINC000097966883
ZINC97966883
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